ethyl 5-[4-(4-chlorobenzoyloxy)-3-methoxyphenyl]-3-oxo-8-thia-4,6,11-triazatricyclo[7.4.0.0²,?]trideca-1(9),2(7)-diene-11-carboxylate

ethyl 5-[4-(4-chlorobenzoyloxy)-3-methoxyphenyl]-3-oxo-8-thia-4,6,11-triazatricyclo[7.4.0.0²,?]trideca-1(9),2(7)-diene-11-carboxylate

Formula: C26H24ClN3O6S

SMILES: CCOC(=O)N1CCC2=C(C1)SC1=C2C(=O)NC(N1)C1=CC=C(OC(=O)C2=CC=C(Cl)C=C2)C(OC)=C1

IUPAC: ethyl 5-[4-(4-chlorobenzoyloxy)-3-methoxyphenyl]-3-oxo-8-thia-4,6,11-triazatricyclo[7.4.0.0²,?]trideca-1(9),2(7)-diene-11-carboxylate

InChI: InChI=1/C26H24ClN3O6S/c1-3-35-26(33)30-11-10-17-20(13-30)37-24-21(17)23(31)28-22(29-24)15-6-9-18(19(12-15)34-2)36-25(32)14-4-7-16(27)8-5-14/h4-9,12,22,29H,3,10-11,13H2,1-2H3,(H,28,31)

Composition: C (57.62%), H (4.46%), Cl (6.54%), N (7.75%), O (17.71%), S (5.92%)

Molar Mass: 542

Atom Count: 61

Heavy Atom Count: 37

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	1
Exact Mass	541.1074344
Formal Charge	0
FSP3	0.27
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	ZIXCOKCPCNRTHU-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	139.22
Topological Polar Surface Area	106.2
Polarizability	52.56
Ring Count	5
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C26H24ClN3O6S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00